| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:57 UTC |
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| Update Date | 2025-03-21 18:38:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119866 |
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| Frequency | 21.7 |
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| Structure | |
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| Chemical Formula | C10H11NO5 |
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| Molecular Mass | 225.0637 |
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| SMILES | COc1ccc(NCC(=O)O)c(C(=O)O)c1 |
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| InChI Key | OHGDOUISDQAUNT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | m-methoxybenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalkyl aryl ethersalpha amino acidsamino acidsanisolesbenzoic acidsbenzoyl derivativescarbonyl compoundsdicarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylalkylaminessecondary alkylarylaminesvinylogous amides |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidamino acid or derivativesamino acidbenzoylalpha-amino acid or derivativesalkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidm-methoxybenzoic acid or derivativesvinylogous amidesecondary aminemethoxybenzenesecondary aliphatic/aromatic aminearomatic homomonocyclic compoundorganic oxygen compoundanisoledicarboxylic acid or derivativesphenylalkylaminehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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